SCHEMBL8958018

SCHEMBL8958018

Cc1cnc2ccncc2c1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 6/20 0.43
EGFR P00533 3/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 1/20 0.36
FYN P06241 1/20 0.36
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ALOX5 P09917 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
DHODH Q02127 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18266931 0.80 CCR1 (0.48) MAPK10EGFRADORA3SIRT3TDP1
SCHEMBL11128028 0.77 AXL (0.44) MAPK10EGFRSIRT3TDP1HTT
SCHEMBL4154529 0.77 MAPK10 (0.40) MAPK10EGFRTDP1EP300KAT2B
SCHEMBL5537100 0.76 HTT (0.50) MAPK10LMNAHTT
SCHEMBL13544937 0.75 KDM4E (0.41) MAPK10EGFRSIRT3TDP1HTT
SCHEMBL3147611 0.74 CCR1 (0.46) EGFRSIRT3TDP1SLC22A12
SCHEMBL8343213 0.73 PARP1 (0.43) TDP1LMNAHTTDHODH
SCHEMBL2835973 0.73 KDM4C (0.44) MAPK10TDP1HTTDHODHSLC22A12
SCHEMBL13931135 0.73 ERN1 (0.40) MAPK10EGFR
SCHEMBL2839401 0.72 MEN1 (0.51) LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188283-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, ABCB1, ABCC1 MAPK10 3514/4885EGFR 802/4885ADORA3 566/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.